Language of instruction: English.
The exercises and exam can be solved in English or German. The exam can be also solved
in Finnish or Swedish by prior agreement.

Course description:

As a result of recent successes in describing and predicting properties of materials,
electronic structure calculations have become increasingly important in the fields of
physics and chemistry over the past decade, especially with the advent of present-day,
high-performance computers. Assuming a knowledge of the types of atoms comprising any
given material, a computational approach enables us to answer two basic questions:
What is the atomic structure of the material and what are its electronic properties ?
The methods used to derive answers to these questions will be the subject of the course.

The student will be introduced to computational methods used in electronic structure
calculations at various levels of sophistication: tight-binding approximation,
density-functional theory, Hartree-Fock methods, etc. Lectures on concepts will be
combined with practical exercises designed to enable the student not only to use the
various standard codes, but also to develop new ones, if required. Special attention
will be given to the electronic structure of nanosystems, such as carbon nanotubes
and atomic clusters.

Exercises

Programming and mathematical exercises are given during the course, but not
every week. The programming exercises should be preferably solved in an Unix environment,
but also solutions written under other environments in strict adherence to the
Fortran90, Fortran(77) or ANSI C standards (so that they can be compiled anywhere) are
acceptable.

Lecture 7.
From the finite to the infinite. Basic concept from the solid state
physics. Reciprocal space. The Fermi surface. Band energy and bond
energy. Tight binding for periodic solids.
The density of states: total and local. The recursion method.
The Peierls transition.